N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide

C26H33N3O3 — CID 46929969

IUPACN-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc2c(c1)CCC(=O)N2CCCN1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H33N3O3/c1-32-23-9-10-24-21(19-23)8-11-26(31)29(24)15-5-14-28-16-12-22(13-17-28)27-25(30)18-20-6-3-2-4-7-20/h2-4,6-7,9-10,19,22H,5,8,11-18H2,1H3,(H,27,30)
InChIKeyUKRRWVUULVILFQ-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.19
Rot. Bonds8

About N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 46929969) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID46929969
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc2c(c1)CCC(=O)N2CCCN1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H33N3O3/c1-32-23-9-10-24-21(19-23)8-11-26(31)29(24)15-5-14-28-16-12-22(13-17-28)27-25(30)18-20-6-3-2-4-7-20/h2-4,6-7,9-10,19,22H,5,8,11-18H2,1H3,(H,27,30)
InChIKeyUKRRWVUULVILFQ-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide (CID 46929969) is N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide is COc1ccc2c(c1)CCC(=O)N2CCCN1CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is UKRRWVUULVILFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-32-23-9-10-24-21(19-23)8-11-26(31)29(24)15-5-14-28-16-12-22(13-17-28)27-25(30)18-20-6-3-2-4-7-20/h2-4,6-7,9-10,19,22H,5,8,11-18H2,1H3,(H,27,30).
What are the key properties of N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 435.57 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 46929969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).